UCSF

ZINC69769389

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 9 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.36 1.96 -42.8 2 2 1 26 126.179 3
Mid Mid (pH 6-8) 0.36 0.54 -3.75 1 2 0 21 125.171 3

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.